N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H21ClF3N3O MolecularWeight: 411.84845

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H21ClF3N3O/c21-18-8-7-16(13-17(18)20(22,23)24)25-19(28)27-10-4-9-26(11-12-27)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,25,28)